5-(3-propan-2-yloxypropyl)-1,3-thiazole

C9H15NOS — CID 176640210

IUPAC5-(3-propan-2-yloxypropyl)-1,3-thiazole
SMILESCC(C)OCCCc1cncs1
InChIInChI=1S/C9H15NOS/c1-8(2)11-5-3-4-9-6-10-7-12-9/h6-8H,3-5H2,1-2H3
InChIKeyHTTUYOUZHXHIMT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.50
Rot. Bonds5

About 5-(3-propan-2-yloxypropyl)-1,3-thiazole

5-(3-propan-2-yloxypropyl)-1,3-thiazole (PubChem CID 176640210) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-(3-propan-2-yloxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-propan-2-yloxypropyl)-1,3-thiazole
PubChem CID176640210
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name5-(3-propan-2-yloxypropyl)-1,3-thiazole
SMILESCC(C)OCCCc1cncs1
InChIInChI=1S/C9H15NOS/c1-8(2)11-5-3-4-9-6-10-7-12-9/h6-8H,3-5H2,1-2H3
InChIKeyHTTUYOUZHXHIMT-UHFFFAOYSA-N
XLogP2.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yloxypropyl)-1,3-thiazole?
The IUPAC name of 5-(3-propan-2-yloxypropyl)-1,3-thiazole (CID 176640210) is 5-(3-propan-2-yloxypropyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-propan-2-yloxypropyl)-1,3-thiazole?
The canonical SMILES for 5-(3-propan-2-yloxypropyl)-1,3-thiazole is CC(C)OCCCc1cncs1.
What is the InChIKey of 5-(3-propan-2-yloxypropyl)-1,3-thiazole?
The InChIKey is HTTUYOUZHXHIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-8(2)11-5-3-4-9-6-10-7-12-9/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-(3-propan-2-yloxypropyl)-1,3-thiazole?
5-(3-propan-2-yloxypropyl)-1,3-thiazole has a molecular weight of 185.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yloxypropyl)-1,3-thiazole is sourced from PubChem (CID 176640210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).